Chlorine in PDB 7o99: Dimn-Sulerythrin

The structure of Dimn-Sulerythrin, PDB code: 7o99 was solved by J.-H.Jeoung, H.Dobbek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.78 / 1.24
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	72.756, 72.756, 98.41, 90, 90, 120
R / Rfree (%)	12.2 / 15.6

The structure of Dimn-Sulerythrin also contains other interesting chemical elements:

Cobalt

(Co)

5 atoms

The binding sites of Chlorine atom in the Dimn-Sulerythrin (pdb code 7o99). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Dimn-Sulerythrin, PDB code: 7o99:

Chlorine binding site 1 out of 1 in the Dimn-Sulerythrin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dimn-Sulerythrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl204 b:30.3 occ:1.00 OE2 B:GLU41 2.3 29.6 1.0 N B:GLU41 3.1 11.3 1.0 CA B:TYR39 3.2 10.7 1.0 O A:HOH431 3.2 36.1 1.0 C B:TYR39 3.3 10.1 1.0 CD B:GLU41 3.4 31.8 1.0 N B:ILE42 3.4 10.7 1.0 CB B:GLU41 3.4 14.0 1.0 CB B:TYR39 3.5 11.2 1.0 N B:PRO40 3.6 10.3 1.0 CA B:GLU41 3.7 12.1 1.0 O B:TYR39 3.7 10.6 1.0 CD1 B:TYR39 3.8 14.1 1.0 CG1 B:ILE42 3.9 14.6 1.0 CG B:GLU41 4.0 19.1 1.0 CD B:PRO40 4.0 11.4 1.0 C B:GLU41 4.0 11.0 1.0 CG B:TYR39 4.1 11.7 1.0 C B:PRO40 4.1 10.8 1.0 OE1 B:GLU41 4.4 38.4 1.0 CB B:ILE42 4.4 11.0 1.0 CD1 B:ILE42 4.4 15.5 1.0 CA B:PRO40 4.4 10.4 1.0 CA B:ILE42 4.5 10.5 1.0 CG B:PRO40 4.6 11.2 1.0 O A:HOH457 4.6 52.3 1.0 N B:TYR39 4.6 10.9 1.0 O B:GLY38 4.8 13.3 1.0

J.H.Jeoung, S.Runger, M.Haumann, B.Neumann, F.Klemke, V.Davis, A.Fischer, H.Dau, U.Wollenberger, H.Dobbek. Bimetallic Mn, Fe, Co, and Ni Sites in A Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation. Inorg.Chem. 2021.
ISSN: ISSN 0020-1669
PubMed: 34757735
DOI: 10.1021/ACS.INORGCHEM.1C01919